SCHEMBL13660615

SCHEMBL13660615

c1cc([C@H]2CC[C@H]3CCCCN32)ccc1NCCCN1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.45
BACE1 P56817 1/20 0.42
KCNH2 Q12809 5/20 0.40
CHRNA7 P36544 4/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 1/20 0.39
SCN5A Q14524 2/20 0.38
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CHRM1 P11229 1/20 0.36
HTR2A P28223 1/20 0.36
MCHR1 Q99705 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7105672 1.00 HRH3 (0.45) HRH3BACE1KCNH2CHRNA7CYP3A4
SCHEMBL4304245 0.95 HRH3 (0.44) HRH3BACE1KCNH2CHRNA7CYP3A4
SCHEMBL7177824 0.84 HRH3 (0.46) HRH3CHRM1HTR2AMCHR1
SCHEMBL7177818 0.84 HRH3 (0.46) HRH3CHRM1HTR2AMCHR1
SCHEMBL13660620 0.81 ALDH1A1 (0.48) CHRNA7
SCHEMBL4438040 0.79 HRH3 (0.66) HRH3KCNH2CYP3A4CYP2C9
SCHEMBL4435944 0.79 HRH3 (0.46) HRH3BACE1
SCHEMBL4431777 0.79 HRH3 (0.66) HRH3KCNH2CYP3A4CYP2C9
SCHEMBL4294139 0.79 HRH3 (0.66) HRH3KCNH2CYP3A4CYP2C9
SCHEMBL6701198 0.79 HRH3 (0.66) HRH3KCNH2CYP3A4CYP2C9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090263322-A1 OCTAHYDRO-INDOLIZINE AND QUINOLIZINE AND HEXAHYDRO-PYRROLIZINES APODACA RICHARD 2009-10-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090263322-A1 OCTAHYDRO-INDOLIZINE AND QUINOLIZINE AND HEXAHYDRO-PYRROLIZINES HRH4, HNMT, HRH1 HRH3 7/4885BACE1 1680/4885KCNH2 470/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.